Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 4DT

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 F1 F F1 N N N 0 -2.79 0.358 1.862
2 C23 C C1 N Y N 0 -1.758 0.747 1.082
3 C10 C C2 N Y N 0 -1.962 1.078 -0.262
4 N1 N N1 N N N 0 -3.231 1.015 -0.817
5 C3 C C3 N Y N 0 -4.297 0.514 -0.068
6 C9 C C4 N Y N 0 -4.601 -0.859 -0.1
7 C8 C C5 N Y N 0 -4.035 -1.967 -0.772
8 N3 N N2 N Y N 0 -4.705 -3.036 -0.451
9 N2 N N3 N Y N 0 -5.734 -2.699 0.437
10 C7 C C6 N Y N 0 -5.678 -1.347 0.661
11 C6 C C7 N Y N 0 -6.43 -0.469 1.438
12 C5 C C8 N Y N 0 -6.12 0.872 1.458
13 C4 C C9 N Y N 0 -5.056 1.363 0.713
14 C2 C C10 N N N 0 -3.453 1.473 -2.191
15 C1 C C11 N N N 0 -3.36 0.282 -3.147
16 C22 C C12 N Y N 0 -0.476 0.831 1.593
17 N8 N N4 N Y N 0 0.514 1.215 0.8
18 C11 C C13 N Y N 0 0.292 1.518 -0.469
19 N4 N N5 N Y N 0 -0.921 1.456 -0.997
20 N5 N N6 N N N 0 1.355 1.916 -1.265
21 C12 C C14 N N N 0 2.657 1.89 -0.756
22 C21 C C15 N N N 0 3.188 0.631 -0.247
23 C20 C C16 N N N 0 4.438 0.523 0.261
24 C15 C C17 N N N 0 5.316 1.699 0.316
25 C14 C C18 N N N 0 4.784 3.011 -0.206
26 C13 C C19 N N N 0 3.375 3.023 -0.759
27 N7 N N7 N N N 0 5.168 -0.531 0.798
28 N6 N N8 N N N 0 6.424 -0.024 1.16
29 C16 C C20 N N N 0 6.477 1.317 0.857
30 C17 C C21 N N N 0 4.711 -1.914 0.956
31 C18 C C22 N N N 0 5.058 -2.713 -0.302
32 C19 C C23 N N N 0 4.581 -4.157 -0.137
33 O1 O O1 N N N 0 4.905 -4.903 -1.312
34 H10 H H1 N N N 0 -3.188 -1.933 -1.441
35 H9 H H2 N N N 0 -6.376 -3.315 0.825
36 H8 H H3 N N N 0 -7.261 -0.839 2.021
37 H7 H H4 N N N 0 -6.707 1.548 2.061
38 H6 H H5 N N N 0 -4.825 2.418 0.74
39 H__4 H H6 N N N 0 -4.442 1.924 -2.268
40 H__5 H H7 N N N 0 -2.696 2.211 -2.455
41 H__1 H H8 N N N 0 -2.371 -0.169 -3.07
42 H__2 H H9 N N N 0 -4.118 -0.456 -2.884
43 H__3 H H10 N N N 0 -3.525 0.623 -4.169
44 H24 H H11 N N N 0 -0.285 0.587 2.628
45 H11 H H12 N N N 0 1.196 2.213 -2.175
46 H23 H H13 N N N 0 2.561 -0.248 -0.276
47 H13 H H14 N N N 0 4.834 3.739 0.604
48 H1 H H15 N N N 0 5.452 3.352 -0.997
49 H12 H H16 N N N 0 2.95 3.936 -1.148
50 H15 H H17 N N N 0 7.142 -0.538 1.562
51 H14 H H18 N N N 0 7.327 1.962 1.028
52 H1_7 H H19 N N N 0 5.203 -2.363 1.819
53 H1_6 H H20 N N N 0 3.632 -1.925 1.107
54 H1_8 H H21 N N N 0 4.566 -2.264 -1.165
55 H1_9 H H22 N N N 0 6.138 -2.702 -0.453
56 H2_0 H H23 N N N 0 5.073 -4.606 0.726
57 H2_1 H H24 N N N 0 3.501 -4.168 0.014
58 H22 H H25 N N N 0 4.631 -5.83 -1.277